#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsk n ALA 2 N nan 0.00 -3.60 0.00 0.00 -1.26 -5.69 120.51 nan 1nsk n ALA 2 Ca nan 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 nan 1nsk n ALA 2 Cb nan 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 nan 1nsk n ALA 2 CO nan 0.00 0.00 1.21 0.00 0.00 0.00 177.50 nan 1nsk s ASN 3 N 0.00 -0.14 0.00 0.00 2.47 -1.26 -5.17 114.94 110.84 1nsk s ASN 3 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.31 1nsk s ASN 3 Cb 0.00 0.14 0.00 0.00 -1.45 0.00 0.00 41.25 39.94 1nsk s ASN 3 CO 0.00 -0.22 0.00 0.18 -3.72 0.00 0.00 177.10 173.34 1nsk n LEU 4 N 0.03 0.00 0.00 3.21 4.77 -1.26 -4.32 117.00 119.43 1nsk n LEU 4 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nsk n LEU 4 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1nsk n LEU 4 CO 0.09 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.36 1nsk n GLU 5 N 0.00 -0.89 -3.64 3.23 2.13 -0.78 -3.35 120.64 117.34 1nsk n GLU 5 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1nsk n GLU 5 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 1nsk n GLU 5 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1nsk s ARG 6 N -1.36 0.30 0.10 5.31 3.52 -1.26 -3.25 118.95 122.31 1nsk s ARG 6 Ca 0.00 0.45 0.01 0.00 -0.13 0.00 0.00 55.73 56.05 1nsk s ARG 6 Cb 0.00 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 1nsk s ARG 6 CO 0.00 -0.05 -0.03 -0.08 -0.81 0.00 0.00 175.30 174.33 1nsk s THR 7 N 0.78 0.47 -0.28 4.11 -1.32 0.55 -4.70 115.64 115.25 1nsk s THR 7 Ca -0.03 -1.90 -0.09 0.00 -1.21 0.00 0.00 61.69 58.46 1nsk s THR 7 Cb -0.04 -1.75 -0.02 0.00 -1.51 0.00 0.00 72.50 69.17 1nsk s THR 7 CO -0.12 -0.79 0.13 0.12 -2.21 0.00 0.00 174.62 171.75 1nsk s PHE 8 N -3.78 3.15 -0.15 9.09 5.36 -1.26 -1.09 117.98 129.30 1nsk s PHE 8 Ca 0.14 -0.37 0.01 0.00 -0.96 0.00 0.00 56.93 55.75 1nsk s PHE 8 Cb 0.07 -2.31 -0.00 0.00 -0.34 0.00 0.00 43.02 40.43 1nsk s PHE 8 CO -0.04 -0.35 -0.16 0.42 -1.46 0.00 0.00 175.22 173.62 1nsk s ILE 9 N 1.64 2.59 -0.10 3.12 -1.09 -0.33 -2.34 121.20 124.69 1nsk s ILE 9 Ca 0.06 -0.80 0.02 0.00 -2.23 0.00 0.00 60.65 57.69 1nsk s ILE 9 Cb -0.16 -2.08 0.01 0.00 -1.58 0.00 0.00 42.46 38.66 1nsk s ILE 9 CO 0.06 0.52 -0.15 0.00 -1.23 0.00 0.00 174.94 174.14 1nsk s ALA 10 N 0.73 1.68 -0.39 9.38 0.00 0.05 -0.32 121.76 132.89 1nsk s ALA 10 Ca -0.07 -0.71 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 1nsk s ALA 10 Cb -0.16 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.17 1nsk s ALA 10 CO 0.01 -0.03 0.68 0.42 0.00 0.00 0.00 175.76 176.84 1nsk s ILE 11 N 0.91 4.82 0.89 0.00 1.01 0.78 -0.38 121.20 129.23 1nsk s ILE 11 Ca -0.08 0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 1nsk s ILE 11 Cb -0.15 -4.16 0.13 0.00 0.01 0.00 0.00 42.46 38.29 1nsk s ILE 11 CO -0.00 -0.45 1.11 -0.54 0.00 0.00 0.00 174.94 175.05 1nsk s LYS 12 N 2.87 1.28 0.28 2.79 1.02 -0.25 -1.65 119.74 126.07 1nsk s LYS 12 Ca 0.26 1.22 -0.00 0.00 0.02 0.00 0.00 55.97 57.47 1nsk s LYS 12 Cb -0.14 -1.78 0.66 0.00 -0.52 0.00 0.00 37.83 36.05 1nsk s LYS 12 CO 0.17 -2.34 1.63 -1.35 -0.92 0.00 0.00 175.35 172.54 1nsk h PRO 13 N -1.64 0.13 -0.37 -1.68 0.11 -1.82 0.18 132.00 126.91 1nsk h PRO 13 Ca -0.46 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1nsk h PRO 13 Cb 1.27 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1nsk h PRO 13 CO 0.48 0.09 -0.09 0.38 -0.21 0.00 0.00 178.00 178.65 1nsk h ASP 14 N 0.14 0.61 -0.69 -2.05 2.03 -1.89 0.44 116.42 115.01 1nsk h ASP 14 Ca 0.53 -0.16 -0.07 0.00 -0.73 0.00 0.00 57.03 56.60 1nsk h ASP 14 Cb 1.05 -0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 39.36 1nsk h ASP 14 CO -0.71 0.74 0.15 1.23 -1.03 0.00 0.00 179.24 179.62 1nsk h GLY 15 N 0.95 1.21 0.56 7.15 0.00 -0.81 0.21 103.07 112.33 1nsk h GLY 15 Ca 0.11 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 1nsk h GLY 15 CO 0.03 0.72 -0.05 -2.08 0.00 0.00 0.00 176.54 175.16 1nsk h VAL 16 N 1.05 1.13 -0.89 4.60 2.07 -1.00 -1.71 116.25 121.49 1nsk h VAL 16 Ca 0.22 -0.94 0.11 0.00 0.82 0.00 0.00 66.70 66.90 1nsk h VAL 16 Cb 0.39 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.81 1nsk h VAL 16 CO 0.01 0.23 0.58 1.56 0.02 0.00 0.00 177.57 179.96 1nsk h GLN 17 N -0.57 0.82 -0.29 1.57 1.08 -0.79 -0.20 115.11 116.73 1nsk h GLN 17 Ca -0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1nsk h GLN 17 Cb 0.47 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1nsk h GLN 17 CO 0.02 0.54 0.00 0.54 -0.95 0.00 0.00 178.83 178.98 1nsk n ARG 18 N -4.54 1.64 -3.47 1.46 1.74 0.05 -4.94 116.66 108.60 1nsk n ARG 18 Ca 0.16 -0.94 -0.22 0.00 -0.77 0.00 0.00 57.85 56.07 1nsk n ARG 18 Cb 0.35 -1.23 0.06 0.00 -1.02 0.00 0.00 32.46 30.62 1nsk n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nsk n GLY 19 N 0.88 -1.00 0.07 -0.13 0.00 -0.09 -4.94 105.19 99.99 1nsk n GLY 19 Ca 0.09 0.48 0.04 0.00 0.00 0.00 0.00 46.02 46.63 1nsk n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nsk n LEU 20 N -3.73 2.19 0.13 0.99 4.77 -0.65 -4.78 117.00 115.92 1nsk n LEU 20 Ca -0.10 -2.36 -0.14 0.00 -0.03 0.00 0.00 56.01 53.38 1nsk n LEU 20 Cb 0.61 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1nsk n LEU 20 CO 0.63 0.58 0.73 0.58 -1.33 0.00 0.00 177.39 178.58 1nsk h VAL 21 N 0.13 0.85 -0.76 4.08 2.07 -1.87 -1.63 116.25 119.12 1nsk h VAL 21 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1nsk h VAL 21 Cb 0.69 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1nsk h VAL 21 CO 0.01 0.06 0.49 1.23 0.02 0.00 0.00 177.57 179.38 1nsk h GLY 22 N -0.40 1.09 0.96 2.17 0.00 -1.97 -1.46 103.07 103.46 1nsk h GLY 22 Ca -0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1nsk h GLY 22 CO 0.05 0.41 0.06 0.83 0.00 0.00 0.00 176.54 177.89 1nsk h GLU 23 N 1.04 0.14 -0.07 4.80 4.39 -1.87 0.09 114.58 123.10 1nsk h GLU 23 Ca 0.28 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1nsk h GLU 23 Cb -0.10 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1nsk h GLU 23 CO -0.06 0.14 0.04 0.82 -1.16 0.00 0.00 179.01 178.79 1nsk h ILE 24 N 0.10 1.07 -0.05 3.13 2.04 -1.08 -1.85 117.51 120.87 1nsk h ILE 24 Ca 0.04 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1nsk h ILE 24 Cb 0.04 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1nsk h ILE 24 CO -0.01 0.06 0.03 0.40 0.00 0.00 0.00 178.15 178.63 1nsk h ILE 25 N 0.04 1.06 -0.70 -0.67 2.04 -1.23 -2.78 117.51 115.26 1nsk h ILE 25 Ca 0.02 -0.17 0.15 0.00 1.00 0.00 0.00 64.86 65.87 1nsk h ILE 25 Cb 0.06 1.09 -0.12 0.00 -0.74 0.00 0.00 36.82 37.11 1nsk h ILE 25 CO -0.00 0.05 0.03 0.50 0.00 0.00 0.00 178.15 178.72 1nsk h LYS 26 N 0.01 0.13 -0.65 2.37 3.64 -0.85 -0.67 116.57 120.54 1nsk h LYS 26 Ca 0.02 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1nsk h LYS 26 Cb 0.06 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1nsk h LYS 26 CO -0.00 0.08 0.37 0.00 -2.27 0.00 0.00 179.45 177.63 1nsk h ARG 27 N 0.13 0.67 -0.22 1.90 3.08 -1.06 0.38 114.38 119.26 1nsk h ARG 27 Ca 0.38 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.27 1nsk h ARG 27 Cb 0.65 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1nsk h ARG 27 CO -0.59 0.44 -0.36 0.74 -1.07 0.00 0.00 179.97 179.13 1nsk h PHE 28 N 0.69 0.55 0.11 3.04 -1.00 -1.01 -2.77 116.94 116.55 1nsk h PHE 28 Ca 0.29 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 1nsk h PHE 28 Cb 0.16 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1nsk h PHE 28 CO -0.08 0.77 -0.05 0.93 -1.61 0.00 0.00 178.31 178.27 1nsk h GLU 29 N 0.40 -0.14 0.00 1.51 5.08 -0.40 -2.75 114.58 118.28 1nsk h GLU 29 Ca 0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1nsk h GLU 29 Cb 0.81 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1nsk h GLU 29 CO 0.07 0.13 0.00 -0.56 -1.00 0.00 0.00 179.01 177.65 1nsk h GLN 30 N -0.41 0.00 0.00 2.33 3.07 -0.93 -2.00 115.11 117.17 1nsk h GLN 30 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.56 1nsk h GLN 30 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.88 1nsk h GLN 30 CO 0.02 0.00 -0.77 -0.22 0.09 0.00 0.00 178.83 177.96 1nsk h LYS 31 N 0.00 0.00 0.00 0.06 1.63 -1.29 -3.47 116.57 113.49 1nsk h LYS 31 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1nsk h LYS 31 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1nsk h LYS 31 CO 0.00 0.77 0.00 0.41 -3.45 0.00 0.00 179.45 177.18 1nsk n GLY 32 N 1.04 0.94 3.84 5.01 0.00 -0.75 -5.11 105.19 110.16 1nsk n GLY 32 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1nsk n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nsk s PHE 33 N -2.00 3.36 -0.07 1.61 0.08 -1.05 -4.97 117.98 114.94 1nsk s PHE 33 Ca 0.00 1.46 0.04 0.00 0.12 0.00 0.00 56.93 58.54 1nsk s PHE 33 Cb 0.00 -2.83 -0.02 0.00 -0.57 0.00 0.00 43.02 39.60 1nsk s PHE 33 CO 0.00 -0.58 -0.17 -0.98 -0.10 0.00 0.00 175.22 173.39 1nsk s ARG 34 N -4.20 2.70 -0.40 0.44 1.70 -0.62 -4.52 118.95 114.05 1nsk s ARG 34 Ca 0.59 -0.76 -0.29 0.00 -0.47 0.00 0.00 55.73 54.81 1nsk s ARG 34 Cb -0.11 -2.37 0.01 0.00 -0.57 0.00 0.00 34.95 31.91 1nsk s ARG 34 CO 0.35 0.47 1.43 -1.17 -1.08 0.00 0.00 175.30 175.30 1nsk s LEU 35 N -0.34 3.60 -0.09 -1.89 0.20 -1.26 -0.57 118.68 118.34 1nsk s LEU 35 Ca 0.03 0.89 -0.11 0.00 0.69 0.00 0.00 54.13 55.63 1nsk s LEU 35 Cb -0.13 -3.54 -0.28 0.00 -0.43 0.00 0.00 46.19 41.81 1nsk s LEU 35 CO 0.02 -1.43 0.54 0.58 -0.29 0.00 0.00 176.35 175.77 1nsk h VAL 36 N 6.45 0.85 -2.44 1.68 2.07 -0.63 -3.47 116.25 120.76 1nsk h VAL 36 Ca -0.28 -2.42 -0.09 0.00 0.82 0.00 0.00 66.70 64.73 1nsk h VAL 36 Cb 1.11 2.66 -0.21 0.00 -1.52 0.00 0.00 31.29 33.33 1nsk h VAL 36 CO 1.08 0.83 -0.04 0.00 0.02 0.00 0.00 177.57 179.46 1nsk s ALA 37 N -2.55 -1.34 -0.19 1.67 0.00 -1.17 -0.66 121.76 117.52 1nsk s ALA 37 Ca -0.19 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 1nsk s ALA 37 Cb 0.06 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.93 1nsk s ALA 37 CO 0.80 -0.30 0.48 1.41 0.00 0.00 0.00 175.76 178.15 1nsk s MET 38 N -0.70 0.50 0.02 0.00 0.00 -1.26 -0.58 119.30 117.29 1nsk s MET 38 Ca -0.08 0.84 -0.08 0.00 0.00 0.00 0.00 55.69 56.37 1nsk s MET 38 Cb -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 34.83 34.89 1nsk s MET 38 CO 0.05 -0.13 0.15 -1.59 0.00 0.00 0.00 175.02 173.49 1nsk s LYS 39 N 1.12 0.58 -0.15 4.11 -2.85 -0.21 -5.01 119.74 117.34 1nsk s LYS 39 Ca -0.07 -0.57 -0.02 0.00 -1.00 0.00 0.00 55.97 54.32 1nsk s LYS 39 Cb -0.06 0.24 -0.02 0.00 -2.06 0.00 0.00 37.83 35.93 1nsk s LYS 39 CO -0.10 -0.15 -0.09 0.12 0.10 0.00 0.00 175.35 175.22 1nsk s PHE 40 N -2.09 2.89 0.13 1.78 5.36 -1.26 -0.84 117.98 123.94 1nsk s PHE 40 Ca -0.09 -0.57 -0.25 0.00 -0.96 0.00 0.00 56.93 55.06 1nsk s PHE 40 Cb -0.04 -1.90 0.07 0.00 -0.34 0.00 0.00 43.02 40.81 1nsk s PHE 40 CO -0.02 -0.19 0.78 -0.48 -1.46 0.00 0.00 175.22 173.85 1nsk s LEU 41 N 0.46 -0.38 -0.44 6.12 2.34 -0.67 -4.98 118.68 121.13 1nsk s LEU 41 Ca -0.07 -0.18 -0.11 0.00 0.06 0.00 0.00 54.13 53.83 1nsk s LEU 41 Cb -0.15 2.35 0.08 0.00 -0.56 0.00 0.00 46.19 47.91 1nsk s LEU 41 CO 0.04 -0.91 0.32 -0.60 -1.06 0.00 0.00 176.35 174.14 1nsk s ARG 42 N -3.49 2.72 0.01 1.48 3.52 -1.26 0.52 118.95 122.45 1nsk s ARG 42 Ca 0.06 -1.46 -0.30 0.00 -0.13 0.00 0.00 55.73 53.90 1nsk s ARG 42 Cb -0.02 -3.92 -0.07 0.00 -1.56 0.00 0.00 34.95 29.38 1nsk s ARG 42 CO -0.06 -1.01 1.63 0.00 -0.81 0.00 0.00 175.30 175.05 1nsk s ALA 43 N 1.49 3.64 0.76 6.12 0.00 -1.26 -4.98 121.76 127.53 1nsk s ALA 43 Ca 0.04 1.07 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 1nsk s ALA 43 Cb -0.24 -3.71 0.06 0.00 0.00 0.00 0.00 23.12 19.23 1nsk s ALA 43 CO 0.03 -1.21 1.18 -1.54 0.00 0.00 0.00 175.76 174.22 1nsk s SER 44 N 2.76 4.09 0.48 0.00 1.04 -1.26 -4.31 113.70 116.50 1nsk s SER 44 Ca 0.73 2.25 0.13 0.00 0.48 0.00 0.00 55.95 59.53 1nsk s SER 44 Cb -0.36 -2.58 1.12 0.00 0.10 0.00 0.00 66.02 64.30 1nsk s SER 44 CO 0.31 -2.33 2.11 -0.33 0.98 0.00 0.00 173.24 173.98 1nsk h GLU 45 N -0.61 0.18 0.58 4.02 5.08 -1.94 -0.55 114.58 121.35 1nsk h GLU 45 Ca -0.46 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 1nsk h GLU 45 Cb 1.28 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.50 1nsk h GLU 45 CO 0.49 0.13 -0.28 1.49 -1.00 0.00 0.00 179.01 179.84 1nsk h GLU 46 N 0.18 -0.75 -0.95 2.33 4.81 -1.97 -0.29 114.58 117.94 1nsk h GLU 46 Ca 0.05 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.44 1nsk h GLU 46 Cb -0.00 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 1nsk h GLU 46 CO -0.01 -0.44 0.61 1.25 -0.73 0.00 0.00 179.01 179.68 1nsk h HIS 47 N -1.01 1.03 -0.35 0.92 2.76 -1.81 -1.20 115.15 115.50 1nsk h HIS 47 Ca -0.08 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 57.97 1nsk h HIS 47 Cb 0.66 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 1nsk h HIS 47 CO 0.00 0.44 -0.36 -0.07 -1.30 0.00 0.00 177.93 176.63 1nsk h LEU 48 N 0.92 0.85 -1.01 0.26 3.38 -1.01 -1.88 115.31 116.82 1nsk h LEU 48 Ca 0.46 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1nsk h LEU 48 Cb 0.48 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1nsk h LEU 48 CO -0.22 1.12 0.56 0.11 0.09 0.00 0.00 178.44 180.10 1nsk h LYS 49 N 0.67 1.24 -0.43 1.13 1.57 0.16 0.63 116.57 121.53 1nsk h LYS 49 Ca 0.06 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1nsk h LYS 49 Cb 0.92 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1nsk h LYS 49 CO 0.08 0.86 0.16 1.96 -0.57 0.00 0.00 179.45 181.94 1nsk h GLN 50 N 1.26 0.65 -0.29 3.15 4.20 -1.19 -1.00 115.11 121.90 1nsk h GLN 50 Ca 0.33 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1nsk h GLN 50 Cb -0.07 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1nsk h GLN 50 CO -0.06 0.61 0.09 1.25 -0.67 0.00 0.00 178.83 180.05 1nsk h HIS 51 N 0.55 0.41 -0.61 2.96 2.76 -0.47 -2.73 115.15 118.02 1nsk h HIS 51 Ca 0.14 -0.01 -0.28 0.00 -2.20 0.00 0.00 60.37 58.01 1nsk h HIS 51 Cb 0.22 -0.13 -0.17 0.00 1.55 0.00 0.00 27.41 28.88 1nsk h HIS 51 CO 0.00 0.36 0.22 0.66 -1.30 0.00 0.00 177.93 177.87 1nsk n TYR 52 N -4.39 1.93 -0.24 5.26 4.01 0.12 -4.74 117.16 119.12 1nsk n TYR 52 Ca 0.01 -1.57 0.03 0.00 -0.16 0.00 0.00 57.90 56.21 1nsk n TYR 52 Cb 0.16 -0.66 0.16 0.00 -0.31 0.00 0.00 39.34 38.68 1nsk n TYR 52 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1nsk h ILE 53 N 1.29 0.66 0.00 -0.72 2.04 -0.87 0.63 117.51 120.55 1nsk h ILE 53 Ca 0.35 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1nsk h ILE 53 Cb 2.14 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1nsk h ILE 53 CO 0.66 0.07 0.00 0.47 0.00 0.00 0.00 178.15 179.36 1nsk n ASP 54 N -5.04 0.00 -0.04 1.72 9.92 -1.26 -1.52 116.55 120.33 1nsk n ASP 54 Ca 0.12 0.35 0.02 0.00 -0.53 0.00 0.00 54.79 54.76 1nsk n ASP 54 Cb 0.38 -0.38 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1nsk n ASP 54 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1nsk n LEU 55 N -1.38 1.71 0.00 0.64 4.77 0.18 -4.79 117.00 118.14 1nsk n LEU 55 Ca 0.01 -1.94 0.05 0.00 -0.03 0.00 0.00 56.01 54.11 1nsk n LEU 55 Cb 0.03 -0.10 0.32 0.00 -2.33 0.00 0.00 43.42 41.35 1nsk n LEU 55 CO 0.03 0.47 0.54 2.29 -1.33 0.00 0.00 177.39 179.39 1nsk n LYS 56 N -0.63 0.40 -0.01 3.23 2.85 -0.58 -2.04 118.16 121.39 1nsk n LYS 56 Ca 0.04 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.36 1nsk n LYS 56 Cb 0.40 -1.42 -0.10 0.00 -0.65 0.00 0.00 35.03 33.26 1nsk n LYS 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1nsk n ASP 57 N -0.92 2.15 -4.78 -5.58 9.92 -1.26 -4.99 116.55 111.09 1nsk n ASP 57 Ca 0.08 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.97 1nsk n ASP 57 Cb 0.04 1.54 -0.03 0.00 -0.64 0.00 0.00 41.12 42.03 1nsk n ASP 57 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1nsk s ARG 58 N -2.84 4.08 0.28 -1.24 3.00 -0.87 -4.95 118.95 116.41 1nsk s ARG 58 Ca -0.05 1.64 0.02 0.00 0.00 0.00 0.00 55.73 57.35 1nsk s ARG 58 Cb 0.08 -2.57 0.64 0.00 0.00 0.00 0.00 34.95 33.10 1nsk s ARG 58 CO 0.52 -0.25 1.75 -1.35 0.00 0.00 0.00 175.30 175.97 1nsk h PRO 59 N 2.49 0.59 0.00 3.54 0.11 -1.95 -1.93 132.00 134.85 1nsk h PRO 59 Ca -0.48 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1nsk h PRO 59 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1nsk h PRO 59 CO 0.62 0.39 -0.22 0.27 -0.21 0.00 0.00 178.00 178.85 1nsk h PHE 60 N 0.61 0.00 -0.76 0.65 -5.15 -1.92 -3.35 116.94 107.02 1nsk h PHE 60 Ca 0.52 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 58.37 1nsk h PHE 60 Cb 0.82 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 36.89 1nsk h PHE 60 CO -0.08 0.22 -0.39 0.34 -2.00 0.00 0.00 178.31 176.40 1nsk n PHE 61 N -3.87 -0.20 -0.18 6.09 7.35 -0.72 0.03 117.46 125.94 1nsk n PHE 61 Ca -0.02 0.94 0.04 0.00 -0.76 0.00 0.00 57.45 57.66 1nsk n PHE 61 Cb 0.31 -0.64 0.32 0.00 0.35 0.00 0.00 39.48 39.82 1nsk n PHE 61 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1nsk h PRO 62 N 0.00 0.81 -0.25 -7.13 0.11 -1.80 -0.66 132.00 123.08 1nsk h PRO 62 Ca 0.17 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 1nsk h PRO 62 Cb 0.36 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1nsk h PRO 62 CO -0.73 0.53 -0.17 0.78 -0.21 0.00 0.00 178.00 178.21 1nsk h GLY 63 N 0.83 0.60 0.85 -0.55 0.00 -0.65 -2.11 103.07 102.03 1nsk h GLY 63 Ca 0.29 -0.57 0.08 0.00 0.00 0.00 0.00 47.33 47.13 1nsk h GLY 63 CO -0.09 0.52 0.56 -2.00 0.00 0.00 0.00 176.54 175.53 1nsk h LEU 64 N 0.27 0.82 -0.10 3.11 5.85 -0.31 0.34 115.31 125.28 1nsk h LEU 64 Ca 0.05 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1nsk h LEU 64 Cb 0.70 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1nsk h LEU 64 CO 0.05 0.51 -0.17 0.58 -0.34 0.00 0.00 178.44 179.06 1nsk h VAL 65 N 0.92 1.38 -0.91 1.05 2.07 -1.06 -1.62 116.25 118.09 1nsk h VAL 65 Ca 0.38 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1nsk h VAL 65 Cb 0.29 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 1nsk h VAL 65 CO -0.15 0.41 0.54 0.50 0.02 0.00 0.00 177.57 178.89 1nsk h LYS 66 N -0.13 1.24 0.52 1.57 1.63 -0.86 -2.81 116.57 117.73 1nsk h LYS 66 Ca 0.01 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 1nsk h LYS 66 Cb 0.74 -0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1nsk h LYS 66 CO 0.04 0.87 -0.31 -0.92 -3.45 0.00 0.00 179.45 175.68 1nsk h TYR 67 N 1.25 -0.83 0.00 1.91 5.03 -0.30 -2.22 116.97 121.81 1nsk h TYR 67 Ca 0.32 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.62 1nsk h TYR 67 Cb -0.04 0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.54 1nsk h TYR 67 CO 0.00 -0.47 0.00 -1.33 -1.32 0.00 0.00 178.16 175.05 1nsk n MET 68 N -4.31 0.06 -0.00 1.82 2.81 -0.62 -0.84 117.12 116.05 1nsk n MET 68 Ca -0.09 0.53 0.10 0.00 -1.81 0.00 0.00 57.70 56.43 1nsk n MET 68 Cb 0.32 -1.68 -0.11 0.00 -0.71 0.00 0.00 33.22 31.04 1nsk n MET 68 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1nsk n ASN 69 N -1.80 0.73 0.29 7.83 5.15 -1.06 -4.37 115.26 122.03 1nsk n ASN 69 Ca -0.00 -0.69 0.16 0.00 -0.60 0.00 0.00 54.58 53.44 1nsk n ASN 69 Cb 0.04 1.18 0.89 0.00 -0.53 0.00 0.00 39.78 41.35 1nsk n ASN 69 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1nsk h SER 70 N 0.00 0.00 -5.12 1.20 4.64 -0.36 -3.45 113.55 110.46 1nsk h SER 70 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1nsk h SER 70 Cb 0.63 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.62 1nsk h SER 70 CO 0.00 0.05 0.00 -0.83 -0.87 0.00 0.00 176.83 175.18 1nsk s GLY 71 N -4.15 0.08 0.67 -0.77 0.00 -1.26 -5.11 107.32 96.77 1nsk s GLY 71 Ca -0.04 -0.42 -0.15 0.00 0.00 0.00 0.00 44.72 44.11 1nsk s GLY 71 CO 0.54 -0.35 1.13 2.56 0.00 0.00 0.00 173.10 176.97 1nsk s PRO 72 N -3.92 2.70 0.31 2.90 0.04 -1.26 -4.60 135.00 131.16 1nsk s PRO 72 Ca 0.13 1.49 0.07 0.00 0.04 0.00 0.00 61.00 62.73 1nsk s PRO 72 Cb -0.01 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1nsk s PRO 72 CO 0.01 -1.35 -0.05 0.14 0.04 0.00 0.00 177.00 175.79 1nsk s VAL 73 N -2.22 1.77 -0.29 -0.36 -7.23 0.18 -3.86 120.40 108.40 1nsk s VAL 73 Ca 0.69 -2.13 -0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1nsk s VAL 73 Cb -0.23 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.22 1nsk s VAL 73 CO 0.41 -0.24 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.24 1nsk s VAL 74 N -2.92 2.69 -0.12 1.32 1.01 -0.66 -1.67 120.40 120.05 1nsk s VAL 74 Ca 0.31 -1.49 -0.12 0.00 0.00 0.00 0.00 61.98 60.68 1nsk s VAL 74 Cb 0.04 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1nsk s VAL 74 CO 0.14 -0.09 0.27 0.00 0.00 0.00 0.00 175.10 175.42 1nsk s ALA 75 N 1.19 3.68 0.12 5.51 0.00 -0.02 -0.15 121.76 132.09 1nsk s ALA 75 Ca -0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 1nsk s ALA 75 Cb -0.20 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 1nsk s ALA 75 CO -0.03 0.28 0.11 -1.64 0.00 0.00 0.00 175.76 174.49 1nsk s MET 76 N -0.16 0.94 -0.09 0.00 -1.94 0.57 -1.05 119.30 117.57 1nsk s MET 76 Ca 0.17 -1.30 0.00 0.00 -1.71 0.00 0.00 55.69 52.85 1nsk s MET 76 Cb -0.13 0.28 0.02 0.00 2.01 0.00 0.00 34.83 37.01 1nsk s MET 76 CO 0.05 -0.28 -0.07 0.08 -0.01 0.00 0.00 175.02 174.79 1nsk s VAL 77 N -3.99 0.87 -0.09 -6.03 1.01 0.26 -1.19 120.40 111.24 1nsk s VAL 77 Ca 0.18 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1nsk s VAL 77 Cb 0.06 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1nsk s VAL 77 CO -0.01 0.33 -0.18 0.26 0.00 0.00 0.00 175.10 175.50 1nsk s TRP 78 N 1.44 2.66 0.02 5.22 0.52 -0.25 0.09 118.94 128.64 1nsk s TRP 78 Ca -0.01 -0.63 0.01 0.00 0.02 0.00 0.00 56.10 55.49 1nsk s TRP 78 Cb -0.13 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1nsk s TRP 78 CO -0.04 -0.17 0.06 -2.00 0.02 0.00 0.00 176.95 174.82 1nsk s GLU 79 N 0.02 2.95 0.00 4.98 2.12 0.26 -0.33 118.70 128.70 1nsk s GLU 79 Ca -0.06 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.69 1nsk s GLU 79 Cb -0.15 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.46 1nsk s GLU 79 CO 0.05 0.62 0.00 0.41 -0.54 0.00 0.00 175.26 175.80 1nsk n GLY 80 N 1.00 2.48 3.61 -1.50 0.00 -1.20 -1.59 105.19 107.99 1nsk n GLY 80 Ca -0.12 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 1nsk n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nsk s LEU 81 N 0.00 3.57 -1.03 0.99 2.96 -1.26 -1.86 118.68 122.04 1nsk s LEU 81 Ca 0.00 1.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 1nsk s LEU 81 Cb 0.00 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1nsk s LEU 81 CO 0.00 -1.77 0.00 -3.20 -1.32 0.00 0.00 176.35 170.06 1nsk n ASN 82 N 10.76 -3.90 -0.30 3.68 2.85 -1.21 -4.92 115.26 122.22 1nsk n ASN 82 Ca 0.26 0.11 0.11 0.00 -0.11 0.00 0.00 54.58 54.96 1nsk n ASN 82 Cb 0.45 -2.80 0.25 0.00 1.24 0.00 0.00 39.78 38.93 1nsk n ASN 82 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1nsk h VAL 83 N 0.00 0.20 0.13 3.44 2.07 -1.78 -1.40 116.25 118.90 1nsk h VAL 83 Ca -0.24 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1nsk h VAL 83 Cb 0.98 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1nsk h VAL 83 CO 0.32 0.02 -0.23 0.58 0.02 0.00 0.00 177.57 178.27 1nsk h VAL 84 N 0.09 0.49 0.25 2.57 2.07 -1.89 0.44 116.25 120.27 1nsk h VAL 84 Ca 0.53 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.04 1nsk h VAL 84 Cb 1.05 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1nsk h VAL 84 CO -0.77 0.00 -0.12 0.50 0.02 0.00 0.00 177.57 177.20 1nsk h LYS 85 N -0.43 -0.32 -0.21 1.57 3.64 -1.62 -2.60 116.57 116.59 1nsk h LYS 85 Ca 0.03 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 1nsk h LYS 85 Cb 0.45 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1nsk h LYS 85 CO -0.12 -0.03 -0.44 1.79 -2.27 0.00 0.00 179.45 178.37 1nsk h THR 86 N -0.61 1.31 -0.34 1.00 1.35 -1.38 -2.79 112.91 111.45 1nsk h THR 86 Ca -0.03 -1.63 0.05 0.00 -0.55 0.00 0.00 66.41 64.24 1nsk h THR 86 Cb 0.44 1.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 1nsk h THR 86 CO 0.06 0.51 0.07 1.23 -0.25 0.00 0.00 175.52 177.13 1nsk h GLY 87 N 1.08 0.39 1.59 5.82 0.00 -0.13 0.24 103.07 112.07 1nsk h GLY 87 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1nsk h GLY 87 CO 0.08 -0.02 0.03 3.21 0.00 0.00 0.00 176.54 179.84 1nsk h ARG 88 N 0.18 0.51 -0.61 4.80 3.08 -1.40 -0.32 114.38 120.63 1nsk h ARG 88 Ca 0.16 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1nsk h ARG 88 Cb 0.18 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1nsk h ARG 88 CO -0.21 0.52 0.19 0.28 -1.07 0.00 0.00 179.97 179.68 1nsk h VAL 89 N 0.50 1.23 -0.22 2.04 2.07 -0.91 0.66 116.25 121.62 1nsk h VAL 89 Ca 0.11 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.70 1nsk h VAL 89 Cb 0.28 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1nsk h VAL 89 CO 0.00 0.31 -0.42 0.24 0.02 0.00 0.00 177.57 177.72 1nsk h MET 90 N 0.90 0.52 -0.27 1.57 2.86 -0.05 -3.03 114.93 117.42 1nsk h MET 90 Ca 0.20 -0.27 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 1nsk h MET 90 Cb 0.26 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1nsk h MET 90 CO -0.01 0.84 -0.36 -0.07 1.06 0.00 0.00 176.91 178.37 1nsk h LEU 91 N 0.42 0.64 0.00 1.22 4.07 -0.16 -1.22 115.31 120.28 1nsk h LEU 91 Ca 0.03 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1nsk h LEU 91 Cb 0.91 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1nsk h LEU 91 CO 0.08 0.95 0.00 0.61 -1.08 0.00 0.00 178.44 178.99 1nsk n GLY 92 N -0.07 -3.35 3.76 0.83 0.00 0.14 -1.33 105.19 105.17 1nsk n GLY 92 Ca -0.01 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 1nsk n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nsk s GLU 93 N -0.69 3.48 0.48 1.61 0.41 -1.26 -4.78 118.70 117.95 1nsk s GLU 93 Ca 0.00 1.90 0.16 0.00 -0.41 0.00 0.00 54.97 56.62 1nsk s GLU 93 Cb 0.00 -2.29 1.16 0.00 -1.78 0.00 0.00 34.13 31.22 1nsk s GLU 93 CO 0.00 -0.82 2.04 1.15 -0.49 0.00 0.00 175.26 177.14 1nsk h THR 94 N 1.61 0.91 -3.25 3.63 2.02 -1.95 -3.32 112.91 112.57 1nsk h THR 94 Ca -0.50 -0.08 -0.68 0.00 0.77 0.00 0.00 66.41 65.92 1nsk h THR 94 Cb 1.27 0.67 -0.18 0.00 -1.74 0.00 0.00 68.15 68.17 1nsk h THR 94 CO 0.59 0.04 0.06 0.21 0.37 0.00 0.00 175.52 176.79 1nsk s ASN 95 N -6.51 6.23 0.63 4.18 3.84 -1.26 -4.79 114.94 117.25 1nsk s ASN 95 Ca -0.06 -0.90 0.22 0.00 0.21 0.00 0.00 52.86 52.32 1nsk s ASN 95 Cb 0.19 -2.29 1.04 0.00 -0.55 0.00 0.00 41.25 39.64 1nsk s ASN 95 CO 0.72 -0.90 1.55 -0.65 -2.79 0.00 0.00 177.10 175.03 1nsk h PRO 96 N 9.00 0.00 0.00 0.43 0.11 -1.78 0.32 132.00 140.09 1nsk h PRO 96 Ca -0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1nsk h PRO 96 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1nsk h PRO 96 CO 0.97 0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 178.52 1nsk h ALA 97 N 0.87 1.31 -0.01 -0.75 0.00 -1.90 -2.94 119.26 115.83 1nsk h ALA 97 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nsk h ALA 97 Cb 1.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1nsk h ALA 97 CO -0.00 0.30 -0.37 -0.25 0.00 0.00 0.00 179.25 178.93 1nsk n ASP 98 N -3.83 1.51 -4.70 0.00 8.00 0.11 -4.96 116.55 112.68 1nsk n ASP 98 Ca -0.02 -1.25 -0.42 0.00 0.71 0.00 0.00 54.79 53.81 1nsk n ASP 98 Cb 0.33 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.93 1nsk n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nsk s SER 99 N -1.93 6.92 0.32 -2.24 0.01 -1.11 -4.58 113.70 111.08 1nsk s SER 99 Ca 0.12 2.11 -0.26 0.00 1.31 0.00 0.00 55.95 59.23 1nsk s SER 99 Cb 0.13 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.69 1nsk s SER 99 CO 0.42 -0.64 0.95 -0.54 0.41 0.00 0.00 173.24 173.85 1nsk s LYS 100 N 1.80 4.59 0.26 12.44 -0.14 -1.26 -4.43 119.74 133.00 1nsk s LYS 100 Ca 0.62 1.36 -0.30 0.00 -1.36 0.00 0.00 55.97 56.28 1nsk s LYS 100 Cb -0.31 -2.83 -0.13 0.00 -1.68 0.00 0.00 37.83 32.87 1nsk s LYS 100 CO 0.27 0.28 1.30 -2.30 -0.76 0.00 0.00 175.35 174.14 1nsk n PRO 101 N 0.61 1.88 0.00 -1.68 -0.02 -1.26 -1.70 135.00 132.83 1nsk n PRO 101 Ca 0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1nsk n PRO 101 Cb 0.50 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1nsk n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nsk n GLY 102 N 1.68 1.65 3.94 -1.23 0.00 -1.26 -4.99 105.19 104.98 1nsk n GLY 102 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1nsk n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nsk s THR 103 N -1.77 5.10 0.13 2.61 -4.23 -0.69 -4.92 115.64 111.86 1nsk s THR 103 Ca 0.00 -0.40 -0.27 0.00 -1.18 0.00 0.00 61.69 59.83 1nsk s THR 103 Cb 0.00 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 69.94 1nsk s THR 103 CO 0.00 -0.54 1.61 0.40 -0.54 0.00 0.00 174.62 175.55 1nsk h ILE 104 N 0.80 0.26 -0.49 2.99 2.04 -1.30 0.27 117.51 122.08 1nsk h ILE 104 Ca -0.49 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.26 1nsk h ILE 104 Cb 1.22 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1nsk h ILE 104 CO 0.62 0.00 -0.11 0.03 0.00 0.00 0.00 178.15 178.69 1nsk h ARG 105 N -0.48 0.90 0.00 2.37 3.08 -1.45 -1.01 114.38 117.79 1nsk h ARG 105 Ca 0.07 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1nsk h ARG 105 Cb 0.58 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1nsk h ARG 105 CO -0.30 0.97 -0.16 0.78 -1.07 0.00 0.00 179.97 180.19 1nsk h GLY 106 N 0.96 0.00 0.48 0.04 0.00 -1.58 -1.67 103.07 101.31 1nsk h GLY 106 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.12 1nsk h GLY 106 CO 0.04 0.00 -2.07 1.22 0.00 0.00 0.00 176.54 175.73 1nsk n ASP 107 N -3.74 0.91 -0.05 0.19 8.00 0.89 -4.51 116.55 118.23 1nsk n ASP 107 Ca -0.02 0.18 0.03 0.00 0.71 0.00 0.00 54.79 55.69 1nsk n ASP 107 Cb 0.27 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 1nsk n ASP 107 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1nsk n PHE 108 N -3.04 0.00 -4.26 1.24 3.72 -0.40 -5.08 117.46 109.63 1nsk n PHE 108 Ca -0.28 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 56.98 1nsk n PHE 108 Cb 1.08 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.52 1nsk n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nsk n ILE 110 N -0.36 0.21 -3.84 0.00 5.41 -1.26 -4.76 119.36 114.76 1nsk n ILE 110 Ca -0.01 0.07 -0.33 0.00 1.00 0.00 0.00 62.75 63.48 1nsk n ILE 110 Cb 0.66 -1.42 -0.05 0.00 -0.71 0.00 0.00 39.64 38.12 1nsk n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1nsk s GLN 111 N -2.00 3.50 0.35 0.38 0.74 -1.26 -3.90 119.66 117.47 1nsk s GLN 111 Ca 0.00 -0.25 0.03 0.00 0.05 0.00 0.00 55.36 55.19 1nsk s GLN 111 Cb 0.00 -3.05 0.64 0.00 1.10 0.00 0.00 33.01 31.69 1nsk s GLN 111 CO 0.00 0.63 1.95 0.28 -0.55 0.00 0.00 175.29 177.60 1nsk h VAL 112 N 2.65 1.17 -0.69 1.34 2.07 -1.95 -1.49 116.25 119.36 1nsk h VAL 112 Ca -0.48 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1nsk h VAL 112 Cb 1.18 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1nsk h VAL 112 CO 0.70 0.20 0.38 1.23 0.02 0.00 0.00 177.57 180.11 1nsk h GLY 113 N 0.80 1.02 -6.46 2.17 0.00 -1.94 -3.13 103.07 95.52 1nsk h GLY 113 Ca 0.17 -0.27 -0.68 0.00 0.00 0.00 0.00 47.33 46.55 1nsk h GLY 113 CO -0.02 0.15 -0.08 0.54 0.00 0.00 0.00 176.54 177.13 1nsk n ARG 114 N -4.78 3.25 -0.87 4.80 5.12 -0.58 -4.88 116.66 118.73 1nsk n ARG 114 Ca 0.09 -4.63 -0.16 0.00 -1.93 0.00 0.00 57.85 51.22 1nsk n ARG 114 Cb 0.19 -2.35 0.14 0.00 -1.16 0.00 0.00 32.46 29.27 1nsk n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1nsk n ASN 115 N 1.02 3.59 0.00 0.55 6.94 -1.12 -4.41 115.26 121.83 1nsk n ASN 115 Ca 0.28 -3.12 0.00 0.00 -0.02 0.00 0.00 54.58 51.72 1nsk n ASN 115 Cb 0.38 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 1nsk n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1nsk n ILE 116 N -0.61 0.00 -3.71 1.53 -5.35 -1.26 -4.77 119.36 105.19 1nsk n ILE 116 Ca 0.41 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.79 1nsk n ILE 116 Cb 1.32 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.17 1nsk n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1nsk s ILE 117 N 0.00 0.06 -0.01 7.28 2.07 -1.26 -1.10 121.20 128.24 1nsk s ILE 117 Ca 0.00 -0.75 0.02 0.00 -1.41 0.00 0.00 60.65 58.51 1nsk s ILE 117 Cb 0.00 -1.38 -0.00 0.00 0.13 0.00 0.00 42.46 41.20 1nsk s ILE 117 CO 0.00 -0.26 -0.06 -2.28 -1.91 0.00 0.00 174.94 170.43 1nsk s HIS 118 N -3.85 0.63 0.02 3.50 5.65 0.49 -4.89 115.29 116.84 1nsk s HIS 118 Ca 0.07 -0.13 0.03 0.00 0.25 0.00 0.00 55.06 55.28 1nsk s HIS 118 Cb 0.01 -0.43 -0.02 0.00 -1.18 0.00 0.00 32.58 30.97 1nsk s HIS 118 CO -0.08 -0.03 -0.09 0.20 -0.65 0.00 0.00 174.74 174.08 1nsk s GLY 119 N -0.01 0.53 0.35 1.59 0.00 -1.26 -0.77 107.32 107.76 1nsk s GLY 119 Ca 0.01 -0.61 -0.29 0.00 0.00 0.00 0.00 44.72 43.83 1nsk s GLY 119 CO -0.00 -0.60 1.47 -0.56 0.00 0.00 0.00 173.10 173.41 1nsk s SER 120 N -0.90 6.44 0.38 1.64 0.01 -0.99 -4.92 113.70 115.36 1nsk s SER 120 Ca -0.01 2.95 0.25 0.00 1.31 0.00 0.00 55.95 60.44 1nsk s SER 120 Cb -0.06 -2.66 0.58 0.00 0.21 0.00 0.00 66.02 64.09 1nsk s SER 120 CO 0.00 -0.81 1.69 -2.24 0.41 0.00 0.00 173.24 172.30 1nsk h ASP 121 N 3.47 0.00 -4.96 2.44 2.03 -1.94 -3.46 116.42 114.00 1nsk h ASP 121 Ca -0.50 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 55.85 1nsk h ASP 121 Cb 1.23 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.63 1nsk h ASP 121 CO 0.67 0.00 0.31 -0.94 -1.03 0.00 0.00 179.24 178.25 1nsk s SER 122 N -5.62 -0.41 0.38 4.15 1.04 -1.26 -4.95 113.70 107.02 1nsk s SER 122 Ca 0.07 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.37 1nsk s SER 122 Cb 0.08 0.57 0.74 0.00 0.10 0.00 0.00 66.02 67.50 1nsk s SER 122 CO 0.63 -0.97 2.02 -0.37 0.98 0.00 0.00 173.24 175.53 1nsk h VAL 123 N 2.00 1.14 -0.27 5.02 -1.51 -1.92 0.60 116.25 121.31 1nsk h VAL 123 Ca -0.27 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 64.88 1nsk h VAL 123 Cb 1.27 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 1nsk h VAL 123 CO 0.32 0.14 0.08 0.50 -1.23 0.00 0.00 177.57 177.39 1nsk h LYS 124 N 0.67 0.43 -0.34 5.19 3.64 -1.98 -2.03 116.57 122.15 1nsk h LYS 124 Ca 0.18 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1nsk h LYS 124 Cb -0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1nsk h LYS 124 CO -0.03 0.49 -0.14 0.77 -2.27 0.00 0.00 179.45 178.27 1nsk h SER 125 N 0.28 0.71 -0.23 4.20 0.02 -1.76 -2.87 113.55 113.91 1nsk h SER 125 Ca 0.09 -0.39 0.06 0.00 -0.84 0.00 0.00 61.79 60.70 1nsk h SER 125 Cb 0.24 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.51 1nsk h SER 125 CO -0.00 0.95 -0.31 0.00 -1.14 0.00 0.00 176.83 176.32 1nsk h ALA 126 N 0.79 -0.29 -0.51 3.77 0.00 0.39 0.12 119.26 123.54 1nsk h ALA 126 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1nsk h ALA 126 Cb 0.67 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1nsk h ALA 126 CO 0.05 -0.76 0.21 0.93 0.00 0.00 0.00 179.25 179.67 1nsk h GLU 127 N -0.34 0.73 0.86 0.00 4.39 -1.39 0.10 114.58 118.93 1nsk h GLU 127 Ca 0.12 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1nsk h GLU 127 Cb 0.53 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1nsk h GLU 127 CO -0.41 0.60 -0.41 0.87 -1.16 0.00 0.00 179.01 178.49 1nsk h LYS 128 N 0.72 -1.11 -0.66 2.33 1.57 -0.96 -1.93 116.57 116.52 1nsk h LYS 128 Ca 0.17 0.08 0.07 0.00 -1.87 0.00 0.00 60.65 59.10 1nsk h LYS 128 Cb 0.14 0.25 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 1nsk h LYS 128 CO -0.02 -0.74 0.34 0.93 -0.57 0.00 0.00 179.45 179.40 1nsk h GLU 129 N -1.22 0.60 -0.97 3.15 5.08 -0.58 0.10 114.58 120.73 1nsk h GLU 129 Ca -0.12 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1nsk h GLU 129 Cb 0.89 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 1nsk h GLU 129 CO 0.19 0.39 0.62 0.82 -1.00 0.00 0.00 179.01 180.04 1nsk h ILE 130 N 0.61 1.08 -0.29 3.13 2.04 -0.73 0.30 117.51 123.65 1nsk h ILE 130 Ca 0.31 -0.39 -0.18 0.00 1.00 0.00 0.00 64.86 65.60 1nsk h ILE 130 Cb 0.26 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1nsk h ILE 130 CO -0.22 0.21 -0.53 0.28 0.00 0.00 0.00 178.15 177.88 1nsk h SER 131 N 1.14 0.96 -0.22 1.72 0.02 -0.46 0.21 113.55 116.92 1nsk h SER 131 Ca 0.42 -0.50 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1nsk h SER 131 Cb 0.16 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1nsk h SER 131 CO -0.17 1.30 -0.22 0.25 -1.14 0.00 0.00 176.83 176.85 1nsk h LEU 132 N 0.67 0.68 0.00 5.07 7.12 0.02 -3.32 115.31 125.56 1nsk h LEU 132 Ca 0.02 -0.24 -0.30 0.00 0.13 0.00 0.00 57.88 57.49 1nsk h LEU 132 Cb 1.13 -0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 41.02 1nsk h LEU 132 CO 0.12 0.90 -2.09 0.79 -0.13 0.00 0.00 178.44 178.02 1nsk n TRP 133 N -4.12 0.34 -4.43 1.25 7.02 0.95 -4.99 117.44 113.47 1nsk n TRP 133 Ca 0.00 0.12 -0.26 0.00 -1.02 0.00 0.00 57.50 56.34 1nsk n TRP 133 Cb 0.42 -1.01 -0.11 0.00 -2.42 0.00 0.00 31.31 28.19 1nsk n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1nsk s PHE 134 N -2.65 2.31 -0.00 -5.99 0.40 0.73 -5.08 117.98 107.71 1nsk s PHE 134 Ca -0.08 -0.35 -0.09 0.00 -0.60 0.00 0.00 56.93 55.82 1nsk s PHE 134 Cb 0.07 -1.11 -0.05 0.00 0.51 0.00 0.00 43.02 42.44 1nsk s PHE 134 CO 0.83 0.55 0.29 0.15 0.70 0.00 0.00 175.22 177.75 1nsk s LYS 135 N -2.87 3.65 0.60 0.44 1.02 -1.26 -4.48 119.74 116.83 1nsk s LYS 135 Ca 0.23 0.04 0.29 0.00 0.02 0.00 0.00 55.97 56.55 1nsk s LYS 135 Cb -0.07 -3.11 1.49 0.00 -0.52 0.00 0.00 37.83 35.63 1nsk s LYS 135 CO 0.11 0.66 1.90 -1.00 -0.92 0.00 0.00 175.35 176.10 1nsk h PRO 136 N 4.21 0.00 -0.00 -1.68 0.13 -1.94 0.30 132.00 133.02 1nsk h PRO 136 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1nsk h PRO 136 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nsk h PRO 136 CO 0.64 0.00 -0.06 -1.91 -0.23 0.00 0.00 178.00 176.44 1nsk n GLU 137 N -3.57 0.84 0.08 0.86 2.13 -1.26 -3.61 120.64 116.11 1nsk n GLU 137 Ca 0.06 -0.25 0.07 0.00 0.66 0.00 0.00 57.16 57.70 1nsk n GLU 137 Cb 0.61 -1.49 -0.03 0.00 0.27 0.00 0.00 31.44 30.80 1nsk n GLU 137 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1nsk h GLU 138 N 0.61 0.00 -6.48 5.31 5.08 -0.78 -3.43 114.58 114.88 1nsk h GLU 138 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1nsk h GLU 138 Cb 0.29 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 1nsk h GLU 138 CO 0.00 0.12 1.02 -0.51 -1.00 0.00 0.00 179.01 178.64 1nsk s LEU 139 N -5.54 3.33 0.13 1.33 1.43 -1.24 -4.59 118.68 113.53 1nsk s LEU 139 Ca -0.01 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 1nsk s LEU 139 Cb 0.09 -2.92 -0.06 0.00 0.03 0.00 0.00 46.19 43.32 1nsk s LEU 139 CO 0.80 -1.64 0.95 -0.69 0.23 0.00 0.00 176.35 175.99 1nsk s VAL 140 N 5.34 4.43 -0.22 -1.59 1.01 0.16 -5.00 120.40 124.53 1nsk s VAL 140 Ca 0.41 2.05 -0.04 0.00 0.00 0.00 0.00 61.98 64.40 1nsk s VAL 140 Cb -0.08 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1nsk s VAL 140 CO 0.21 0.36 -0.05 -1.81 0.00 0.00 0.00 175.10 173.81 1nsk s ASP 141 N -0.25 4.25 0.33 3.32 1.01 -1.26 -4.68 116.67 119.39 1nsk s ASP 141 Ca 0.45 -0.40 -0.08 0.00 0.71 0.00 0.00 52.55 53.24 1nsk s ASP 141 Cb -0.24 -1.73 0.01 0.00 1.01 0.00 0.00 42.92 41.98 1nsk s ASP 141 CO 0.30 -0.02 0.55 -0.72 0.21 0.00 0.00 175.17 175.49 1nsk s TYR 142 N 1.45 0.69 -0.14 4.23 1.13 -1.26 -5.16 117.35 118.29 1nsk s TYR 142 Ca 0.05 -1.06 0.01 0.00 -1.41 0.00 0.00 57.07 54.67 1nsk s TYR 142 Cb -0.14 0.19 0.02 0.00 -1.10 0.00 0.00 41.96 40.93 1nsk s TYR 142 CO -0.04 -1.21 -0.17 0.21 -2.51 0.00 0.00 175.55 171.83 1nsk s LYS 143 N -3.08 2.54 0.21 -3.49 2.20 -1.26 -5.10 119.74 111.76 1nsk s LYS 143 Ca 0.25 -0.67 -0.31 0.00 -0.36 0.00 0.00 55.97 54.88 1nsk s LYS 143 Cb -0.02 -2.18 -0.11 0.00 -1.51 0.00 0.00 37.83 34.01 1nsk s LYS 143 CO 0.16 -0.13 1.63 -1.54 -0.36 0.00 0.00 175.35 175.12 1nsk s SER 144 N 1.14 6.46 0.63 1.43 1.04 -1.26 -4.89 113.70 118.25 1nsk s SER 144 Ca -0.02 2.80 0.38 0.00 0.48 0.00 0.00 55.95 59.60 1nsk s SER 144 Cb -0.14 -2.61 2.17 0.00 0.10 0.00 0.00 66.02 65.55 1nsk s SER 144 CO -0.06 -0.90 2.33 0.00 0.98 0.00 0.00 173.24 175.58 1nsk n ALA 146 N -2.19 3.31 -0.20 0.00 0.00 -1.26 -4.67 120.51 115.51 1nsk n ALA 146 Ca -0.03 -1.96 -0.00 0.00 0.00 0.00 0.00 53.44 51.45 1nsk n ALA 146 Cb 0.07 -0.91 0.10 0.00 0.00 0.00 0.00 19.45 18.72 1nsk n ALA 146 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nsk h HIS 147 N 3.09 0.36 0.00 0.00 6.17 -1.60 0.02 115.15 123.18 1nsk h HIS 147 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1nsk h HIS 147 Cb 1.62 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 31.48 1nsk h HIS 147 CO 0.77 0.08 0.00 -0.25 0.71 0.00 0.00 177.93 179.23 1nsk n ASP 148 N -5.02 0.24 -0.05 3.26 8.00 -1.26 -0.69 116.55 121.03 1nsk n ASP 148 Ca 0.08 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.25 1nsk n ASP 148 Cb 0.28 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.74 1nsk n ASP 148 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1nsk n TRP 149 N -1.76 0.00 -0.08 1.24 7.02 -0.06 -4.01 117.44 119.78 1nsk n TRP 149 Ca 0.03 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.44 1nsk n TRP 149 Cb 0.19 -0.05 -0.15 0.00 -2.42 0.00 0.00 31.31 28.88 1nsk n TRP 149 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1nsk n VAL 150 N -1.35 1.13 -0.51 -0.99 0.31 -0.75 -5.13 118.33 111.05 1nsk n VAL 150 Ca 0.05 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1nsk n VAL 150 Cb 0.34 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 1nsk n VAL 150 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29